Details of the Drug

General Information of Drug (ID: DMA8DXG)

Drug Name
7-Bromo-2-(4-hydroxy-phenyl)-benzofuran-5-ol
Synonyms CHEMBL183782; 7-Bromo-2-(4-hydroxy-phenyl)-benzofuran-5-ol; SCHEMBL3927964; UBYHIUUMRHTEFF-UHFFFAOYSA-N
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 305.12
Logarithm of the Partition Coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C14H9BrO3
IUPAC Name
7-bromo-2-(4-hydroxyphenyl)-1-benzofuran-5-ol
Canonical SMILES
C1=CC(=CC=C1C2=CC3=CC(=CC(=C3O2)Br)O)O
InChI
InChI=1S/C14H9BrO3/c15-12-7-11(17)5-9-6-13(18-14(9)12)8-1-3-10(16)4-2-8/h1-7,16-17H
InChIKey
UBYHIUUMRHTEFF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10286352
ChEBI ID
CHEMBL183782
TTD ID
D0L2MU
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Estrogen receptor (ESR) TTZAYWL ESR1_HUMAN Inhibitor [1]
Estrogen receptor beta (ESR2) TTOM3J0 ESR2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 7-Substituted 2-phenyl-benzofurans as ER beta selective ligands. Bioorg Med Chem Lett. 2004 Oct 4;14(19):4925-9.